N-[2-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-ethyl]-N'-[2-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-propyl]-guanidine | 63552-73-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[2-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-ethyl]-N'-[2-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-propyl]-guanidine
• 英文别名: N-[2-(4-methyl-5-imidazolylmethylthio)ethyl]-N'-[2-(4-methyl-5-imidazolylmethylthio)propyl]guanidine；1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine
• CAS: 63552-73-8
• 化学式: C₁₆H₂₇N₇S₂
• 分子量: 381.569
• InChiKey: WZTVUNBRCHHEGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  158
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-Methyl-2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethylamine 、 、 S-methyl-N-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]thiouronium sulphate 在 50(H+) 、 盐酸 、 sodium hydroxide 、 苦酮酸 作用下， 以 水 为溶剂， 反应 4.0h， 以afforded N-[2-(4-methyl-5-imidazolylmethylthio)ethyl]-N'-[2-(4-methyl-5-imidazolylmethylthio)propyl]guanidine tripicrolonate (1.75 g, m.p. 173°-175°, from aqueous dimethylformamide)的产率得到N-[2-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-ethyl]-N'-[2-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-propyl]-guanidine
  参考文献：
  名称：

  Certain thiazoles and oxazoles

  摘要：

  这些化合物是N,N'-取代硫脲、脲和鸟氨酸，它们是H-2组胺受体抑制剂。本发明的两种化合物是N,N'-双[2-((4-甲基-5-咪唑基)甲硫基)乙基]硫脲和N,N'-双[2-((4-甲基-5-咪唑基)甲硫基)乙基]-N''-氰基鸟氨酸。

  公开号：

  US04025527A1

文献信息

• Imidazolyl thioureas, ureas and guanidines
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04152443A1

  公开（公告）日：1979-05-01

  The compounds are N,N' -substituted thioureas, ureas and guanidines which are H-2 histamine receptor inhibitors. Two compounds of this invention are N,N'-bis[2-((4-methyl-5-imidazolyl)methylthio)ethyl] thiourea and N,N'-bis[2-((4-methyl-5-imidazolyl)methylthio)ethyl]-N"-cyanoguanidine.

  这些化合物是N，N'-取代硫脲，脲和鸟氨酸，它们是H-2组胺受体抑制剂。本发明的两种化合物是N，N'-双[2-（（4-甲基-5-咪唑基）甲基硫基）乙基]硫脲和N，N'-双[2-（（4-甲基-5-咪唑基）甲基硫基）乙基]-N''-氰基鸟氨酸。
• N-Heterocyclic alkyl-N'-thiadiazolyl, thiazolyl and isothiazolyl
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04388319A1

  公开（公告）日：1983-06-14

  The compounds are N,N'-substituted thioureas, ureas and guanidines which are H-2 histamine receptor inhibitors. A compound of this invention is N-cyano-N'-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]-N"-[2-(2-thiazolyl methylthio)ethyl]guanidine.

  这些化合物是N,N'-取代硫脲、脲和鸟氨酸类物质，它们是H-2组胺受体抑制剂。该发明的一种化合物是N-氰基-N'-[2-((4-甲基-5-咪唑基)甲硫基)乙基]-N"-[2-(2-噻唑甲硫基)乙基]鸟氨酸。
• Pyridyl ureas, thioureas and guanidines
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04215125A1

  公开（公告）日：1980-07-29

  The compounds are N,N'-substituted thioureas, ureas and guanidines which are H-2 histamine receptor inhibitors. A compound of this invention is N,N'-bis-[2-(2-pyridylmethylthioethyl]-N"-cyanoguanidine.

  这些化合物是N,N'-取代硫脲、尿素和鸟氨酸，它们是H-2组胺受体抑制剂。该发明的一种化合物是N,N'-双-[2-(2-吡啶甲基硫乙基)]-N''-氰基鸟氨酸。
• Pharmacologically active isoxazole and triazole compounds
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04499101A1

  公开（公告）日：1985-02-12

  The compounds are N,N'-substituted thioureas, ureas and guanidines which are H-2 histamine receptor inhibitors. Two compounds of this invention are N,N'-bis[2-((4-methyl-5-imidazolyl)methylthio)ethyl]thiourea and N,N'-bis[2-((4-methyl-5-imidazolyl)methylthio)ethyl]-N"-cyanoguanidine.

  这些化合物是N，N'-取代硫脲，脲和鸟氨酸，它们是H-2组胺受体抑制剂。本发明的两种化合物是N，N'-双[2-（（4-甲基-5-咪唑基）甲硫基）乙基]硫脲和N，N'-双[2-（（4-甲基-5-咪唑基）甲硫基）乙基]-N''-氰基鸟氨酸。
• N-Heterocyclic alkyl-N'-pyridyl alkylthioureas, ureas and guanidines
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04271169A1

  公开（公告）日：1981-06-02

  The compounds are N,N'-substituted thioureas, ureas and guanidines which are H-2 histamine receptor inhibitors. A compound of this invention is N-[2-(2-pyridylmethylthio)ethyl]-N'-[2-(4-methyl-5-imidazolylmethylthio)et hyl]thiourea is N,N'-bis[2-((4-methyl-5-imidazolyl)methylthio)ethyl]thiourea and N,N'-bis[2-((methyl-5-imidazolyl)methylthio)ethyl]-N"-cyanoguanidine.

  这些化合物是N，N'-取代硫脲，尿素和鸟氨酸，它们是H-2组胺受体抑制剂。本发明的一种化合物是N-[2-(2-吡啶甲基硫基)乙基]-N'-[2-(4-甲基-5-咪唑甲基硫基)乙基]硫脲，是N，N'-双[2-((4-甲基-5-咪唑基)甲基硫基)乙基]硫脲和N，N'-双[2-((甲基-5-咪唑基)甲基硫基)乙基]-N''-氰基鸟氨酸。